ChemSpider 2D Image | Spheroidenone | C41H58O2

Spheroidenone

  • Molecular FormulaC41H58O2
  • Average mass582.898 Da
  • Monoisotopic mass582.443665 Da
  • ChemSpider ID4518272

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3E)-1-Methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-2-one [ACD/IUPAC Name]
(3E)-1-Méthoxy-3,4-didéhydro-1,2,7',8'-tétrahydro-ψ,ψ-carotén-2-one [French] [ACD/IUPAC Name]
(3E)-1-Methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotin-2-on [German] [ACD/IUPAC Name]
spheroiden-2-one
Spheroidenone
ψ,ψ-Caroten-2-one, 3,4-didehydro-1,2,7',8'-tetrahydro-1-methoxy-, (3E)- [ACD/Index Name]
ψ,ψ-Carotene, 3,4-didehydro-1,2,7',8'-tetrahydro-1-methoxy-2-oxo-
(3E)-3,4-Didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotene
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one
13836-70-9 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 692.9±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 204.8±21.7 °C
Index of Refraction: 1.525
Molar Refractivity: 193.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 12.83
ACD/LogD (pH 5.5): 11.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 630.8±3.0 cm3

Click to predict properties on the Chemicalize site


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